2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene

C9BrF9 — CID 13179250

IUPAC2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Br)C2(F)F
InChIInChI=1S/C9BrF9/c10-9(19)7(15,16)1-2(8(9,17)18)4(12)6(14)5(13)3(1)11
InChIKeyKSBOOYRUBPFWFD-UHFFFAOYSA-N
MW358.99 g/mol
LogP4.50
Rot. Bonds

About 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene

2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene (PubChem CID 13179250) has the molecular formula C9BrF9 and a molecular weight of 358.99 g/mol. Its IUPAC name is 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene.

Molecular Properties

Compound Name2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene
PubChem CID13179250
Molecular FormulaC9BrF9
Molecular Weight358.99 g/mol
Exact Mass357.90
IUPAC Name2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Br)C2(F)F
InChIInChI=1S/C9BrF9/c10-9(19)7(15,16)1-2(8(9,17)18)4(12)6(14)5(13)3(1)11
InChIKeyKSBOOYRUBPFWFD-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.99
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene?
The IUPAC name of 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene (CID 13179250) is 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene.
What is the SMILES notation for 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene?
The canonical SMILES for 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Br)C2(F)F.
What is the InChIKey of 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene?
The InChIKey is KSBOOYRUBPFWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9BrF9/c10-9(19)7(15,16)1-2(8(9,17)18)4(12)6(14)5(13)3(1)11.
What are the key properties of 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene?
2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene has a molecular weight of 358.99 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,2,3,3,4,5,6,7-nonafluoroindene is sourced from PubChem (CID 13179250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).